N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide

C14H21N3O2 — CID 20763511

IUPACN-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide
SMILESCN1CCCC(COc2ccc(/N=C/NO)cc2)C1
InChIInChI=1S/C14H21N3O2/c1-17-8-2-3-12(9-17)10-19-14-6-4-13(5-7-14)15-11-16-18/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyFYXYLWZUWJAGRM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds5

About N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide

N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide (PubChem CID 20763511) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide
PubChem CID20763511
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide
SMILESCN1CCCC(COc2ccc(/N=C/NO)cc2)C1
InChIInChI=1S/C14H21N3O2/c1-17-8-2-3-12(9-17)10-19-14-6-4-13(5-7-14)15-11-16-18/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyFYXYLWZUWJAGRM-UHFFFAOYSA-N
XLogP2.05
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
CID 134126084
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline
CID 71765317
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
2,3-dihydro-1,4-benzodioxine;(3S)-1-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine;trifluoromethylbenzene
CID 142125090
4-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244391
2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62654732
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide (CID 20763511) is N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide is CN1CCCC(COc2ccc(/N=C/NO)cc2)C1.
What is the InChIKey of N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide?
The InChIKey is FYXYLWZUWJAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-8-2-3-12(9-17)10-19-14-6-4-13(5-7-14)15-11-16-18/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide?
N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide has a molecular weight of 263.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide is sourced from PubChem (CID 20763511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).